4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

C15H20N4O — CID 81087122

IUPAC4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC(CN)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C15H20N4O/c1-12(10-16)9-15(20)17-11-13-5-2-3-6-14(13)19-8-4-7-18-19/h2-8,12H,9-11,16H2,1H3,(H,17,20)
InChIKeyGWBBXMPMKHPCOZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds6

About 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide

4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (PubChem CID 81087122) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
PubChem CID81087122
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
SMILESCC(CN)CC(=O)NCc1ccccc1-n1cccn1
InChIInChI=1S/C15H20N4O/c1-12(10-16)9-15(20)17-11-13-5-2-3-6-14(13)19-8-4-7-18-19/h2-8,12H,9-11,16H2,1H3,(H,17,20)
InChIKeyGWBBXMPMKHPCOZ-UHFFFAOYSA-N
XLogP1.47
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 81083953
4-amino-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 61166353
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
2-(azetidin-3-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 116677047
1-methyl-1-[(2S)-2-methylbutyl]-3-[(2-pyrazol-1-ylphenyl)methyl]urea
CID 97212409
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
2-(1,3-benzodioxol-5-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
CID 136579374
N'-(3-chloro-2-methylphenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]propanediamide
CID 131893479

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide (CID 81087122) is 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is CC(CN)CC(=O)NCc1ccccc1-n1cccn1.
What is the InChIKey of 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
The InChIKey is GWBBXMPMKHPCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(10-16)9-15(20)17-11-13-5-2-3-6-14(13)19-8-4-7-18-19/h2-8,12H,9-11,16H2,1H3,(H,17,20).
What are the key properties of 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide?
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 81087122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).